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.travis.yml
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.travis.yml
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language: python
# Run jobs on container-based infrastructure, can be overridden per job
matrix:
include:
# Extra includes for OSX since python language is not available by default on OSX
- os: osx
language: generic
env: PYTHON_VER=3.6 OPENMM="latest"
- os: osx
language: generic
env: PYTHON_VER=3.7 OPENMM="latest"
- os: linux
language: generic # No need to set Python version since its conda
env: PYTHON_VER=3.6 OPENMM="latest"
- os: linux
language: generic
env: PYTHON_VER=3.7 OPENMM="latest"
- os: linux
language: generic
env: PYTHON_VER=3.7 OPENMM="nightly"
- os: linux
language: generic
env: PYTHON_VER=3.7 OPENMM="conda-forge"
allow_failures:
# TODO: Reactivate macOS tests if they stop segfaulting after switching from nose to pytest (see also #402 and #430).
- os: osx
# Allow conda-forge failure
- os: linux
language: generic
env: PYTHON_VER=3.7 OPENMM="conda-forge"
env:
global:
- OPENMM_CPU_THREADS="1" # only use one CPU thread for determinism
before_install:
# Additional info about the build
- uname -a
- df -h
- ulimit -a
# Install the Python environment
- source devtools/travis-ci/before_install.sh
- python -V
install:
# Create test environment for package
- python devtools/scripts/create_conda_env.py -n=test -p=$PYTHON_VER devtools/conda-envs/test_env.yaml
# Activate the test environment
- conda activate test
# Build and install package
- python setup.py develop --no-deps
# Install desired OpenMM version
- if [ "$OPENMM" == "latest" ]; then echo "Using latest release OpenMM."; conda install --yes -c omnia openmm; fi
- if [ "$OPENMM" == "beta" ]; then echo "Using OpenMM beta"; conda install --yes -c omnia/label/beta openmm; fi
- if [ "$OPENMM" == "nightly" ]; then echo "Using OpenMM nightly dev build."; conda install --yes -c omnia-dev openmm; fi
- if [ "$OPENMM" == "conda-forge" ]; then echo "Using OpenMM conda-forge testing build."; conda install --yes -c conda-forge/label/testing openmm; conda remove --force ocl-icd ocl-icd-system; fi
script:
#- pytest -v --cov=openmmtools openmmtools/tests/
- nosetests openmmtools/tests --nocapture --verbosity=2 --with-timer --with-doctest -a '!slow'
notifications:
email: false
after_success:
- codecov